Raphael Klein

7PUBLICATIONS
14CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsStatistical mechanics in chemistryOpen accessBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (7)

|Jul 10, 2026
Strategies for Identifying Molecules of Interest in Large Chemical Spaces.

|Aug 20, 2025
A Benchmark Set of Bioactive Molecules for Diversity Analysis of Compound Libraries and Combinatorial Chemical Spaces.

Alexander Neumann, Raphael Klein

|Apr 20, 2023
Relevance of the Trillion-Sized Chemical Space "eXplore" as a Source for Drug Discovery.

Alexander Neumann, Lester Marrison, Raphael Klein

|Sep 07, 2022
Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.

Janis Müller, Raphael Klein, Olga Tarkhanova

|Jun 02, 2022
Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment Spaces.

Louis Bellmann, Raphael Klein, Matthias Rarey

|Sep 03, 2021
Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces.

Robert Schmidt, Raphael Klein, Matthias Rarey

Pageof 2

Frequent Collaborators

2 joint publications

Matthias Rarey

1 joint publications

Ludvik Olai Espeland

1 joint publications

Charis Georgiou

1 joint publications

Bengt Erik Haug